Home Other Building Blocks 3-CHLOROPROPYL PHENYL SULFIDE

3-CHLOROPROPYL PHENYL SULFIDE

CAS No.:
4911-65-3
Catalog Number:
AG003JBH
Molecular Formula:
C9H11ClS
Molecular Weight:
186.7016
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Product Description
Catalog Number:
AG003JBH
Chemical Name:
3-CHLOROPROPYL PHENYL SULFIDE
CAS Number:
4911-65-3
Molecular Formula:
C9H11ClS
Molecular Weight:
186.7016
MDL Number:
MFCD00040122
IUPAC Name:
3-chloropropylsulfanylbenzene
InChI:
InChI=1S/C9H11ClS/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChI Key:
SBRLITLVSMPPFI-UHFFFAOYSA-N
SMILES:
ClCCCSc1ccccc1
NSC Number:
110816
Properties
Complexity:
89.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.027g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.697g/mol
Monoisotopic Mass:
186.027g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties